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2-Nitro-9,10-dihydro-9,10-ethanoanthracene-9,10-dicarbonitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Nitro-9,10-dihydro-9,10-ethanoanthracene-9,10-dicarbonitrile
SpectraBase Compound ID GnVX18kASLB
InChI InChI=1S/C18H11N3O2/c19-10-17-7-8-18(11-20,14-4-2-1-3-13(14)17)16-9-12(21(22)23)5-6-15(16)17/h1-6,9H,7-8H2
InChIKey QUVJQBNQPOCVKH-UHFFFAOYSA-N
Mol Weight 301.31 g/mol
Molecular Formula C18H11N3O2
Exact Mass 301.085127 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IgUsbABw0w
Name 2-Nitro-9,10-dihydro-9,10-ethanoanthracene-9,10-dicarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.085126604 u
Formula C18H11N3O2
InChI InChI=1S/C18H11N3O2/c19-10-17-7-8-18(11-20,14-4-2-1-3-13(14)17)16-9-12(21(22)23)5-6-15(16)17/h1-6,9H,7-8H2
InChIKey QUVJQBNQPOCVKH-UHFFFAOYSA-N
SMILES C12(C=3C(=CC=C(N(=O)=O)C3)C(CC1)(C#N)C1=C2C=CC=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880479